3-(azepan-1-ium-1-yl)-N-(3-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC[NH+]2CCCCCC2

InChI

InChI=1S/C16H23ClN2O/c1-13-14(17)7-6-8-15(13)18-16(20)9-12-19-10-4-2-3-5-11-19/h6-8H,2-5,9-12H2,1H3,(H,18,20)/p+1